N-methyl-5-(2,4,4-trimethylhexan-2-yl)pyrazine-2-carboxamide

C15H25N3O — CID 167229251

IUPACN-methyl-5-(2,4,4-trimethylhexan-2-yl)pyrazine-2-carboxamide
SMILESCCC(C)(C)CC(C)(C)c1cnc(C(=O)NC)cn1
InChIInChI=1S/C15H25N3O/c1-7-14(2,3)10-15(4,5)12-9-17-11(8-18-12)13(19)16-6/h8-9H,7,10H2,1-6H3,(H,16,19)
InChIKeyRVFICQMVUYPHAO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.94
Rot. Bonds5

About N-methyl-5-(2,4,4-trimethylhexan-2-yl)pyrazine-2-carboxamide

N-methyl-5-(2,4,4-trimethylhexan-2-yl)pyrazine-2-carboxamide (PubChem CID 167229251) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-methyl-5-(2,4,4-trimethylhexan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(2,4,4-trimethylhexan-2-yl)pyrazine-2-carboxamide
PubChem CID167229251
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-methyl-5-(2,4,4-trimethylhexan-2-yl)pyrazine-2-carboxamide
SMILESCCC(C)(C)CC(C)(C)c1cnc(C(=O)NC)cn1
InChIInChI=1S/C15H25N3O/c1-7-14(2,3)10-15(4,5)12-9-17-11(8-18-12)13(19)16-6/h8-9H,7,10H2,1-6H3,(H,16,19)
InChIKeyRVFICQMVUYPHAO-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107377291
5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104639889
N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 129189538
N-methyl-5-(2-methylbutan-2-yl)-1,3-thiazole-2-carboxamide
CID 176964958
acetaldehyde;N,5-dimethylpyrazine-2-carboxamide
CID 144521434
2-bromoacetaldehyde;N,5-dimethylpyrazine-2-carboxamide
CID 144521390
5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 24881805
N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374127
5-(bromomethyl)-N-methylpyridine-2-carboxamide
CID 166088325
6-cyano-N-methyl-5-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 176965224
5-[[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-N-methylpyridine-2-carboxamide
CID 171489994
2-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 61263724

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2,4,4-trimethylhexan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of N-methyl-5-(2,4,4-trimethylhexan-2-yl)pyrazine-2-carboxamide (CID 167229251) is N-methyl-5-(2,4,4-trimethylhexan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-5-(2,4,4-trimethylhexan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-5-(2,4,4-trimethylhexan-2-yl)pyrazine-2-carboxamide is CCC(C)(C)CC(C)(C)c1cnc(C(=O)NC)cn1.
What is the InChIKey of N-methyl-5-(2,4,4-trimethylhexan-2-yl)pyrazine-2-carboxamide?
The InChIKey is RVFICQMVUYPHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-7-14(2,3)10-15(4,5)12-9-17-11(8-18-12)13(19)16-6/h8-9H,7,10H2,1-6H3,(H,16,19).
What are the key properties of N-methyl-5-(2,4,4-trimethylhexan-2-yl)pyrazine-2-carboxamide?
N-methyl-5-(2,4,4-trimethylhexan-2-yl)pyrazine-2-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2,4,4-trimethylhexan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 167229251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).